A1AZH
(2R)-2,3-dihydroxypropane-1-sulfonic acid
Created: | 2024-07-18 |
Last modified: | 2024-09-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 1 |
Bond Count | 16 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2R)-2,3-dihydroxypropane-1-sulfonic acid |
Systematic Name (OpenEye OEToolkits) | (2~{R})-2,3-bis(oxidanyl)propane-1-sulfonic acid |
Formula | C3 H8 O5 S |
Molecular Weight | 156.158 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCC(O)CS(=O)(=O)O |
SMILES | CACTVS | 3.385 | OC[CH](O)C[S](O)(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C(CS(=O)(=O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | OC[C@@H](O)C[S](O)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C([C@H](CS(=O)(=O)O)O)O |
InChI | InChI | 1.06 | InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m1/s1 |
InChIKey | InChI | 1.06 | YPFUJZAAZJXMIP-GSVOUGTGSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49852441 |
ChEBI | CHEBI:60996 |